8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane

C12H25NO2 — CID 144812856

IUPAC8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
SMILESCC.CC1(C)CNCC2OCCOC2C1
InChIInChI=1S/C10H19NO2.C2H6/c1-10(2)5-8-9(6-11-7-10)13-4-3-12-8;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyUWQFQZFWXJIQAG-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds

About 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane

8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane (PubChem CID 144812856) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane.

Molecular Properties

Compound Name8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
PubChem CID144812856
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
SMILESCC.CC1(C)CNCC2OCCOC2C1
InChIInChI=1S/C10H19NO2.C2H6/c1-10(2)5-8-9(6-11-7-10)13-4-3-12-8;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3
InChIKeyUWQFQZFWXJIQAG-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane with MolForge

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Related Compounds

(3aR,8aS)-7,7-dimethyl-2,3,3a,4,5,6,8,8a-octahydrofuro[3,2-c]azepine;hydrochloride
CID 155906315
(2R)-2,6,6-trimethyl-1,4-oxazepane
CID 177088964
(1S,18S)-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane
CID 102121960
(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 130851400
(2S)-2-[(2S)-oxetan-2-yl]morpholine
CID 86311966
4-(4,4-dimethylpyrrolidin-3-yl)morpholine
CID 91666792
2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride
CID 53484266
ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 177246410
5-(2,4-dichlorophenyl)-3,3-dimethylpiperidine
CID 82300275
2-(2-bromophenyl)-6,6-dimethyl-1,4-oxazepane
CID 115362109
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane?
The IUPAC name of 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane (CID 144812856) is 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane.
What is the SMILES notation for 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane?
The canonical SMILES for 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane is CC.CC1(C)CNCC2OCCOC2C1.
What is the InChIKey of 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane?
The InChIKey is UWQFQZFWXJIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-10(2)5-8-9(6-11-7-10)13-4-3-12-8;1-2/h8-9,11H,3-7H2,1-2H3;1-2H3.
What are the key properties of 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane?
8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane has a molecular weight of 215.34 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane is sourced from PubChem (CID 144812856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).